ethyl 1-[2-(azepan-1-yl)-2-oxoethyl]-2-methyl-5-phenyl-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
ethyl 1-[2-(azepan-1-yl)-2-oxoethyl]-2-methyl-5-phenyl-1H-pyrrole-3-carboxylate
ethyl 1-[2-(azepan-1-yl)-2-oxoethyl]-2-methyl-5-phenyl-1H-pyrrole-3-carboxylate
Compound characteristics
| Compound ID: | K906-1631 |
| Compound Name: | ethyl 1-[2-(azepan-1-yl)-2-oxoethyl]-2-methyl-5-phenyl-1H-pyrrole-3-carboxylate |
| Molecular Weight: | 368.48 |
| Molecular Formula: | C22 H28 N2 O3 |
| Smiles: | CCOC(c1cc(c2ccccc2)n(CC(N2CCCCCC2)=O)c1C)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4125 |
| logD: | 4.4125 |
| logSw: | -4.1979 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 38.395 |
| InChI Key: | XGESGDWVWVMQFM-UHFFFAOYSA-N |